Sn(Hg3H)2
Alexandria ALEXAlex-ID: agm005772180 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2489_spg2
HgH4 Sn Hg
2023-07-07 10:55:29.125565
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772180).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005772180
data_agm005772180
_cell_length_a 6.96749
_cell_length_b 6.20368
_cell_length_c 8.00608
_cell_angle_alpha 130.21672
_cell_angle_beta 52.90718
_cell_angle_gamma 123.55936
_cell_volume 203.05739
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sn1 Sn 0.00000 1.00000 0.00000 1.00000
Hg1 Hg 0.75352 0.42455 0.52992 1.00000
Hg2 Hg 0.05898 0.23814 0.73504 1.00000
Hg3 Hg 0.24648 0.57545 0.47008 1.00000
Hg4 Hg 0.53948 0.17485 0.88960 1.00000
Hg5 Hg 0.94102 0.76186 0.26496 1.00000
Hg6 Hg 0.46052 0.82515 0.11040 1.00000
H1 H 0.57869 0.64855 0.37872 1.00000
H2 H 0.42131 0.35145 0.62128 1.00000
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